Capturing the Iron Carburization Mechanisms from the Surface to Bulk-Reference-Cited by-同舟云学术

Capturing the Iron Carburization Mechanisms from the Surface to Bulk

Published:2020-12-21 Issue:52 Volume:124 Page:28569-28579
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Bentria El Tayeb¹,Akande Salawu Omotayo²,Becquart Charlotte S.³,Mousseau Normand⁴,Bouhali Othmane²,El-Mellouhi Fedwa¹^ORCID

Affiliation:

1. Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, P.O. Box 34110, Doha, Qatar

2. Texas A&M University at Qatar, P.O. Box 23874, Doha, Qatar

3. Univ. Lille, CNRS, INRAE, Centrale Lille, UMR 8207—UMET—Unité Matériaux et Transformations, F-59000 Lille, France

4. Département de Physique and Regroupement Québécois sur les Matériaux de Pointe, Université de Montréal, Case Postale 6128, Succursale Centre-Ville, Montréal, Quebec, Canada H3C 3J7

Funder

Qatar National Research Fund

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.0c09001

Reference41 articles.

1. How computational models can help unlock biological systems

2. Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals

3. Developing ReaxFF to Visit CO Adsorption and Dissociation on Iron Surfaces

4. Interactions of hydrogen with the iron and iron carbide interfaces: a ReaxFF molecular dynamics study

5. ReaxFF: A Reactive Force Field for Hydrocarbons

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